N-(cyclohexylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[2-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

InChI

InChI=1S/C27H35N3O3S/c1-33-24-13-7-6-12-23(24)29-15-17-30(18-16-29)27(32)22-11-5-8-14-25(22)34-20-26(31)28-19-21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3,(H,28,31)